N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide

C16H19N3O3 — CID 58417448

IUPACN-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)NO)ccc1C(C)NC(=O)c1cccn1C
InChIInChI=1S/C16H19N3O3/c1-10-9-12(15(20)18-22)6-7-13(10)11(2)17-16(21)14-5-4-8-19(14)3/h4-9,11,22H,1-3H3,(H,17,21)(H,18,20)
InChIKeyBGZNTHRAELMPLK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.94
Rot. Bonds4

About N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide

N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 58417448) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID58417448
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(C(=O)NO)ccc1C(C)NC(=O)c1cccn1C
InChIInChI=1S/C16H19N3O3/c1-10-9-12(15(20)18-22)6-7-13(10)11(2)17-16(21)14-5-4-8-19(14)3/h4-9,11,22H,1-3H3,(H,17,21)(H,18,20)
InChIKeyBGZNTHRAELMPLK-UHFFFAOYSA-N
XLogP1.94
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide (CID 58417448) is N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide is Cc1cc(C(=O)NO)ccc1C(C)NC(=O)c1cccn1C.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BGZNTHRAELMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-9-12(15(20)18-22)6-7-13(10)11(2)17-16(21)14-5-4-8-19(14)3/h4-9,11,22H,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide?
N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 58417448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).